N-[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3-diketo-isoindoline-5-carboxamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)N

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C4=C(S3)C[C@H](CC4)C)C(=O)N

InChI

InChI=1S/C23H25N3O4S/c1-3-4-9-26-22(29)14-8-6-13(11-16(14)23(26)30)20(28)25-21-18(19(24)27)15-7-5-12(2)10-17(15)31-21/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H2,24,27)(H,25,28)/t12-/m0/s1